4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol

C18H23N5O2 — CID 177310269

IUPAC4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol
SMILESOc1ccc(OCCN(CCn2ccnc2)CCn2ccnc2)cc1
InChIInChI=1S/C18H23N5O2/c24-17-1-3-18(4-2-17)25-14-13-21(9-11-22-7-5-19-15-22)10-12-23-8-6-20-16-23/h1-8,15-16,24H,9-14H2
InChIKeyUZSJKCWFQLXWMA-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.87
Rot. Bonds10

About 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol

4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol (PubChem CID 177310269) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol
PubChem CID177310269
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol
SMILESOc1ccc(OCCN(CCn2ccnc2)CCn2ccnc2)cc1
InChIInChI=1S/C18H23N5O2/c24-17-1-3-18(4-2-17)25-14-13-21(9-11-22-7-5-19-15-22)10-12-23-8-6-20-16-23/h1-8,15-16,24H,9-14H2
InChIKeyUZSJKCWFQLXWMA-UHFFFAOYSA-N
XLogP1.87
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
3-ethyl-4-[4-(2-imidazol-1-ylethoxy)phenyl]phenol
CID 137341712
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol?
The IUPAC name of 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol (CID 177310269) is 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol.
What is the SMILES notation for 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol?
The canonical SMILES for 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol is Oc1ccc(OCCN(CCn2ccnc2)CCn2ccnc2)cc1.
What is the InChIKey of 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol?
The InChIKey is UZSJKCWFQLXWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17-1-3-18(4-2-17)25-14-13-21(9-11-22-7-5-19-15-22)10-12-23-8-6-20-16-23/h1-8,15-16,24H,9-14H2.
What are the key properties of 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol?
4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol has a molecular weight of 341.42 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(2-imidazol-1-ylethyl)amino]ethoxy]phenol is sourced from PubChem (CID 177310269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).